7CK8

Crystal structure of human ferritin heavy chain mutant C90S/C102S/C130S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97905
Spacegroup name	C 2 2 21
Unit cell lengths	182.910, 183.272, 183.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.976 - 1.800
R-factor	0.1932
Rwork	0.192
R-free	0.22250
Structure solution method	AB INITIO PHASING
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.131	0.089	0.453
Rmeas	0.143	0.096	0.498
Rpim	0.055	0.037	0.204
Number of reflections	333244	34083	33065
<I/σ(I)>	6.3	9.73	4.2
Completeness [%]	100.0	100	99.9
Redundancy	6.3	6.5	5.9
CC(1/2)	0.991	0.995	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Bicine, pH 9.0, 1.7-2.0 M MgCl2